USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 401 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 CYS SG : rot 102:sc= -0.979 USER MOD Set 1.2: A 46 HIS : no HD1:sc= 0.131 K(o=-10,f=-11) USER MOD Set 1.3: A 63 CYS SG : rot -2:sc= -5.41! USER MOD Set 1.4: A 66 CYS SG : rot -40:sc= -3.72! USER MOD Set 2.1: A 26 CYS SG : rot 60:sc= 0.189 USER MOD Set 2.2: A 29 CYS SG : rot -56:sc= -0.646 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -2.5 K(o=-4.7,f=-6.7!) USER MOD Set 2.4: A 52 CYS SG : rot -165:sc= -1.76! USER MOD Single : A 12 TYR OH : rot 111:sc= 0.771 USER MOD Single : A 24 THR OG1 : rot 78:sc= 0.0274 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 45 ASN : amide:sc=-0.00775 X(o=-0.0077,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 150:sc= -0.31 (180deg=-1.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.71 K(o=-1.7,f=-0.3) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.369 3.928 6.279 1.00 0.00 N ATOM 128 CA TYR A 12 -9.482 5.341 6.623 1.00 0.00 C ATOM 129 C TYR A 12 -8.460 6.172 5.853 1.00 0.00 C ATOM 130 O TYR A 12 -7.382 5.687 5.508 1.00 0.00 O ATOM 131 CB TYR A 12 -9.286 5.538 8.127 1.00 0.00 C ATOM 132 CG TYR A 12 -7.835 5.584 8.549 1.00 0.00 C ATOM 133 CD1 TYR A 12 -7.055 6.707 8.304 1.00 0.00 C ATOM 134 CD2 TYR A 12 -7.243 4.503 9.191 1.00 0.00 C ATOM 135 CE1 TYR A 12 -5.729 6.754 8.686 1.00 0.00 C ATOM 136 CE2 TYR A 12 -5.918 4.541 9.578 1.00 0.00 C ATOM 137 CZ TYR A 12 -5.165 5.668 9.324 1.00 0.00 C ATOM 138 OH TYR A 12 -3.844 5.709 9.707 1.00 0.00 O ATOM 0 HA TYR A 12 -10.481 5.678 6.346 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.773 6.465 8.430 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.785 4.728 8.659 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.494 7.559 7.806 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.829 3.618 9.391 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.137 7.635 8.487 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.474 3.692 10.077 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.788 5.736 10.685 1.00 0.00 H new ATOM 148 N ARG A 13 -8.807 7.427 5.588 1.00 0.00 N ATOM 149 CA ARG A 13 -7.922 8.327 4.858 1.00 0.00 C ATOM 150 C ARG A 13 -7.036 9.114 5.819 1.00 0.00 C ATOM 151 O ARG A 13 -7.506 9.628 6.834 1.00 0.00 O ATOM 152 CB ARG A 13 -8.738 9.290 3.994 1.00 0.00 C ATOM 153 CG ARG A 13 -9.195 8.687 2.676 1.00 0.00 C ATOM 154 CD ARG A 13 -10.468 9.350 2.172 1.00 0.00 C ATOM 155 NE ARG A 13 -10.220 10.700 1.672 1.00 0.00 N ATOM 156 CZ ARG A 13 -11.157 11.638 1.593 1.00 0.00 C ATOM 157 NH1 ARG A 13 -12.398 11.374 1.980 1.00 0.00 N ATOM 158 NH2 ARG A 13 -10.854 12.843 1.127 1.00 0.00 N ATOM 0 H ARG A 13 -9.695 7.844 5.868 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.283 7.724 4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.612 9.618 4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.139 10.178 3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.407 8.797 1.931 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.366 7.618 2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.903 8.743 1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.200 9.391 2.979 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.276 10.935 1.367 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.634 10.449 2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.116 12.096 1.918 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.901 13.050 0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.574 13.563 1.067 1.00 0.00 H new ATOM 172 N PHE A 14 -5.751 9.205 5.491 1.00 0.00 N ATOM 173 CA PHE A 14 -4.798 9.929 6.325 1.00 0.00 C ATOM 174 C PHE A 14 -5.271 11.358 6.575 1.00 0.00 C ATOM 175 O PHE A 14 -5.425 12.144 5.642 1.00 0.00 O ATOM 176 CB PHE A 14 -3.418 9.944 5.664 1.00 0.00 C ATOM 177 CG PHE A 14 -2.406 10.767 6.409 1.00 0.00 C ATOM 178 CD1 PHE A 14 -2.356 12.142 6.244 1.00 0.00 C ATOM 179 CD2 PHE A 14 -1.505 10.166 7.273 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.426 12.902 6.928 1.00 0.00 C ATOM 181 CE2 PHE A 14 -0.574 10.921 7.960 1.00 0.00 C ATOM 182 CZ PHE A 14 -0.533 12.291 7.786 1.00 0.00 C ATOM 0 H PHE A 14 -5.346 8.786 4.654 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.728 9.415 7.284 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.052 8.920 5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.514 10.331 4.650 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.051 12.625 5.574 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.531 9.095 7.411 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.398 13.973 6.792 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.121 10.441 8.633 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.196 12.883 8.320 1.00 0.00 H new ATOM 326 N THR A 24 2.975 8.150 12.382 1.00 0.00 N ATOM 327 CA THR A 24 2.477 7.623 11.117 1.00 0.00 C ATOM 328 C THR A 24 3.601 7.487 10.097 1.00 0.00 C ATOM 329 O THR A 24 3.989 8.462 9.451 1.00 0.00 O ATOM 330 CB THR A 24 1.372 8.521 10.531 1.00 0.00 C ATOM 331 OG1 THR A 24 0.878 7.957 9.311 1.00 0.00 O ATOM 332 CG2 THR A 24 1.898 9.924 10.269 1.00 0.00 C ATOM 0 HA THR A 24 2.061 6.638 11.327 1.00 0.00 H new ATOM 0 HB THR A 24 0.561 8.583 11.257 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.266 7.219 9.516 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.100 10.540 9.855 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.247 10.362 11.204 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.724 9.876 9.560 1.00 0.00 H new ATOM 340 N LEU A 25 4.121 6.273 9.954 1.00 0.00 N ATOM 341 CA LEU A 25 5.202 6.009 9.010 1.00 0.00 C ATOM 342 C LEU A 25 5.059 4.622 8.393 1.00 0.00 C ATOM 343 O LEU A 25 4.538 3.701 9.022 1.00 0.00 O ATOM 344 CB LEU A 25 6.557 6.132 9.709 1.00 0.00 C ATOM 345 CG LEU A 25 7.787 5.866 8.840 1.00 0.00 C ATOM 346 CD1 LEU A 25 9.000 6.598 9.392 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.060 4.372 8.746 1.00 0.00 C ATOM 0 H LEU A 25 3.812 5.455 10.480 1.00 0.00 H new ATOM 0 HA LEU A 25 5.143 6.749 8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.640 7.137 10.123 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.574 5.438 10.550 1.00 0.00 H new ATOM 0 HG LEU A 25 7.588 6.243 7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.865 6.396 8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.803 7.670 9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.203 6.253 10.406 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.939 4.201 8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.238 3.971 9.744 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.199 3.872 8.303 1.00 0.00 H new ATOM 359 N CYS A 26 5.527 4.479 7.157 1.00 0.00 N ATOM 360 CA CYS A 26 5.454 3.204 6.454 1.00 0.00 C ATOM 361 C CYS A 26 6.801 2.488 6.484 1.00 0.00 C ATOM 362 O CYS A 26 7.674 2.751 5.656 1.00 0.00 O ATOM 363 CB CYS A 26 5.011 3.421 5.006 1.00 0.00 C ATOM 364 SG CYS A 26 4.708 1.881 4.082 1.00 0.00 S ATOM 0 H CYS A 26 5.961 5.231 6.622 1.00 0.00 H new ATOM 0 HA CYS A 26 4.719 2.579 6.962 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.100 4.020 5.002 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.775 3.999 4.486 1.00 0.00 H new ATOM 0 HG CYS A 26 3.771 1.199 4.671 1.00 0.00 H new ATOM 369 N VAL A 27 6.963 1.582 7.442 1.00 0.00 N ATOM 370 CA VAL A 27 8.202 0.827 7.579 1.00 0.00 C ATOM 371 C VAL A 27 8.616 0.204 6.251 1.00 0.00 C ATOM 372 O VAL A 27 9.801 0.154 5.918 1.00 0.00 O ATOM 373 CB VAL A 27 8.068 -0.286 8.636 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.570 -1.573 7.996 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.395 -0.512 9.343 1.00 0.00 C ATOM 0 H VAL A 27 6.251 1.353 8.135 1.00 0.00 H new ATOM 0 HA VAL A 27 8.968 1.533 7.900 1.00 0.00 H new ATOM 0 HB VAL A 27 7.336 0.029 9.379 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.482 -2.348 8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.595 -1.399 7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.276 -1.896 7.231 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.282 -1.301 10.086 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.150 -0.806 8.614 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.706 0.409 9.837 1.00 0.00 H new ATOM 385 N VAL A 28 7.632 -0.270 5.494 1.00 0.00 N ATOM 386 CA VAL A 28 7.893 -0.889 4.200 1.00 0.00 C ATOM 387 C VAL A 28 8.728 0.026 3.311 1.00 0.00 C ATOM 388 O VAL A 28 9.901 -0.244 3.051 1.00 0.00 O ATOM 389 CB VAL A 28 6.582 -1.238 3.470 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.873 -1.999 2.185 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.665 -2.042 4.379 1.00 0.00 C ATOM 0 H VAL A 28 6.646 -0.237 5.755 1.00 0.00 H new ATOM 0 HA VAL A 28 8.448 -1.807 4.395 1.00 0.00 H new ATOM 0 HB VAL A 28 6.074 -0.310 3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.935 -2.237 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.490 -1.384 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.403 -2.922 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.744 -2.280 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.163 -2.966 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.430 -1.457 5.268 1.00 0.00 H new ATOM 401 N CYS A 29 8.117 1.111 2.848 1.00 0.00 N ATOM 402 CA CYS A 29 8.803 2.068 1.989 1.00 0.00 C ATOM 403 C CYS A 29 9.327 3.250 2.800 1.00 0.00 C ATOM 404 O CYS A 29 9.565 4.330 2.260 1.00 0.00 O ATOM 405 CB CYS A 29 7.860 2.567 0.892 1.00 0.00 C ATOM 406 SG CYS A 29 6.537 3.667 1.491 1.00 0.00 S ATOM 0 H CYS A 29 7.147 1.350 3.054 1.00 0.00 H new ATOM 0 HA CYS A 29 9.651 1.562 1.528 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.444 3.096 0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.407 1.707 0.398 1.00 0.00 H new ATOM 0 HG CYS A 29 5.857 3.062 2.420 1.00 0.00 H new ATOM 411 N MET A 30 9.505 3.036 4.099 1.00 0.00 N ATOM 412 CA MET A 30 10.003 4.082 4.985 1.00 0.00 C ATOM 413 C MET A 30 9.524 5.456 4.526 1.00 0.00 C ATOM 414 O MET A 30 10.326 6.368 4.325 1.00 0.00 O ATOM 415 CB MET A 30 11.531 4.053 5.035 1.00 0.00 C ATOM 416 CG MET A 30 12.095 2.789 5.664 1.00 0.00 C ATOM 417 SD MET A 30 11.448 2.489 7.320 1.00 0.00 S ATOM 418 CE MET A 30 12.952 2.569 8.290 1.00 0.00 C ATOM 0 H MET A 30 9.312 2.148 4.562 1.00 0.00 H new ATOM 0 HA MET A 30 9.610 3.894 5.984 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.921 4.150 4.022 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.884 4.917 5.597 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.862 1.936 5.027 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.181 2.865 5.711 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.716 2.402 9.341 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.647 1.802 7.948 1.00 0.00 H new ATOM 0 HE3 MET A 30 13.409 3.551 8.172 1.00 0.00 H new ATOM 428 N CYS A 31 8.213 5.596 4.363 1.00 0.00 N ATOM 429 CA CYS A 31 7.628 6.858 3.926 1.00 0.00 C ATOM 430 C CYS A 31 6.325 7.139 4.668 1.00 0.00 C ATOM 431 O CYS A 31 5.499 6.244 4.854 1.00 0.00 O ATOM 432 CB CYS A 31 7.375 6.833 2.418 1.00 0.00 C ATOM 433 SG CYS A 31 6.979 8.448 1.709 1.00 0.00 S ATOM 0 H CYS A 31 7.536 4.851 4.527 1.00 0.00 H new ATOM 0 HA CYS A 31 8.335 7.656 4.155 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.259 6.436 1.919 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.555 6.146 2.209 1.00 0.00 H new ATOM 0 HG CYS A 31 6.784 8.324 0.430 1.00 0.00 H new ATOM 439 N ASP A 32 6.147 8.386 5.091 1.00 0.00 N ATOM 440 CA ASP A 32 4.945 8.784 5.813 1.00 0.00 C ATOM 441 C ASP A 32 3.771 8.967 4.856 1.00 0.00 C ATOM 442 O ASP A 32 3.767 9.878 4.029 1.00 0.00 O ATOM 443 CB ASP A 32 5.195 10.080 6.586 1.00 0.00 C ATOM 444 CG ASP A 32 6.040 11.067 5.805 1.00 0.00 C ATOM 445 OD1 ASP A 32 5.655 11.405 4.666 1.00 0.00 O ATOM 446 OD2 ASP A 32 7.086 11.500 6.331 1.00 0.00 O ATOM 0 H ASP A 32 6.820 9.138 4.946 1.00 0.00 H new ATOM 0 HA ASP A 32 4.695 7.991 6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.239 10.541 6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.691 9.847 7.528 1.00 0.00 H new ATOM 451 N PHE A 33 2.777 8.093 4.974 1.00 0.00 N ATOM 452 CA PHE A 33 1.598 8.156 4.118 1.00 0.00 C ATOM 453 C PHE A 33 1.230 9.603 3.805 1.00 0.00 C ATOM 454 O PHE A 33 1.468 10.502 4.610 1.00 0.00 O ATOM 455 CB PHE A 33 0.417 7.451 4.788 1.00 0.00 C ATOM 456 CG PHE A 33 0.817 6.255 5.604 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.435 5.168 5.007 1.00 0.00 C ATOM 458 CD2 PHE A 33 0.574 6.218 6.967 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.804 4.066 5.755 1.00 0.00 C ATOM 460 CE2 PHE A 33 0.942 5.119 7.720 1.00 0.00 C ATOM 461 CZ PHE A 33 1.557 4.041 7.113 1.00 0.00 C ATOM 0 H PHE A 33 2.764 7.333 5.654 1.00 0.00 H new ATOM 0 HA PHE A 33 1.832 7.648 3.182 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.103 8.162 5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.291 7.137 4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.631 5.182 3.945 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.092 7.057 7.447 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.285 3.225 5.278 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.749 5.103 8.782 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.844 3.181 7.700 1.00 0.00 H new ATOM 471 N GLU A 34 0.650 9.819 2.628 1.00 0.00 N ATOM 472 CA GLU A 34 0.251 11.157 2.208 1.00 0.00 C ATOM 473 C GLU A 34 -1.183 11.456 2.635 1.00 0.00 C ATOM 474 O GLU A 34 -1.837 10.631 3.273 1.00 0.00 O ATOM 475 CB GLU A 34 0.383 11.299 0.690 1.00 0.00 C ATOM 476 CG GLU A 34 1.809 11.539 0.223 1.00 0.00 C ATOM 477 CD GLU A 34 1.939 11.521 -1.287 1.00 0.00 C ATOM 478 OE1 GLU A 34 1.018 12.018 -1.969 1.00 0.00 O ATOM 479 OE2 GLU A 34 2.963 11.011 -1.788 1.00 0.00 O ATOM 0 H GLU A 34 0.446 9.085 1.949 1.00 0.00 H new ATOM 0 HA GLU A 34 0.913 11.875 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.001 10.396 0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.244 12.125 0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.154 12.501 0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.460 10.776 0.649 1.00 0.00 H new ATOM 486 N SER A 35 -1.666 12.642 2.278 1.00 0.00 N ATOM 487 CA SER A 35 -3.020 13.053 2.628 1.00 0.00 C ATOM 488 C SER A 35 -4.024 12.550 1.594 1.00 0.00 C ATOM 489 O SER A 35 -3.698 12.405 0.416 1.00 0.00 O ATOM 490 CB SER A 35 -3.102 14.577 2.735 1.00 0.00 C ATOM 491 OG SER A 35 -3.113 15.179 1.452 1.00 0.00 O ATOM 0 H SER A 35 -1.139 13.335 1.746 1.00 0.00 H new ATOM 0 HA SER A 35 -3.268 12.614 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.003 14.858 3.280 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.253 14.951 3.308 1.00 0.00 H new ATOM 0 HG SER A 35 -3.168 16.153 1.548 1.00 0.00 H new ATOM 497 N ARG A 36 -5.246 12.286 2.045 1.00 0.00 N ATOM 498 CA ARG A 36 -6.298 11.798 1.161 1.00 0.00 C ATOM 499 C ARG A 36 -5.868 10.511 0.464 1.00 0.00 C ATOM 500 O ARG A 36 -5.968 10.393 -0.757 1.00 0.00 O ATOM 501 CB ARG A 36 -6.652 12.861 0.120 1.00 0.00 C ATOM 502 CG ARG A 36 -7.350 14.078 0.705 1.00 0.00 C ATOM 503 CD ARG A 36 -7.927 14.967 -0.385 1.00 0.00 C ATOM 504 NE ARG A 36 -8.121 16.340 0.074 1.00 0.00 N ATOM 505 CZ ARG A 36 -8.195 17.385 -0.743 1.00 0.00 C ATOM 506 NH1 ARG A 36 -8.090 17.214 -2.053 1.00 0.00 N ATOM 507 NH2 ARG A 36 -8.373 18.603 -0.249 1.00 0.00 N ATOM 0 H ARG A 36 -5.532 12.402 3.017 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.179 11.586 1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.740 13.183 -0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.294 12.414 -0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.148 13.755 1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.643 14.650 1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.259 14.964 -1.247 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.881 14.558 -0.719 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.204 16.506 1.077 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.952 16.279 -2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.147 18.018 -2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.453 18.738 0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.430 19.405 -0.877 1.00 0.00 H new ATOM 521 N GLN A 37 -5.390 9.550 1.248 1.00 0.00 N ATOM 522 CA GLN A 37 -4.944 8.272 0.705 1.00 0.00 C ATOM 523 C GLN A 37 -5.381 7.118 1.600 1.00 0.00 C ATOM 524 O GLN A 37 -5.438 7.254 2.823 1.00 0.00 O ATOM 525 CB GLN A 37 -3.423 8.264 0.548 1.00 0.00 C ATOM 526 CG GLN A 37 -2.894 9.393 -0.321 1.00 0.00 C ATOM 527 CD GLN A 37 -2.792 9.005 -1.783 1.00 0.00 C ATOM 528 OE1 GLN A 37 -3.685 8.358 -2.330 1.00 0.00 O ATOM 529 NE2 GLN A 37 -1.698 9.400 -2.425 1.00 0.00 N ATOM 0 H GLN A 37 -5.302 9.632 2.261 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.404 8.142 -0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.964 8.331 1.534 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.116 7.311 0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.549 10.259 -0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.911 9.695 0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.983 9.935 -1.932 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.573 9.168 -3.411 1.00 0.00 H new ATOM 538 N LEU A 38 -5.690 5.982 0.984 1.00 0.00 N ATOM 539 CA LEU A 38 -6.123 4.803 1.726 1.00 0.00 C ATOM 540 C LEU A 38 -4.945 4.142 2.434 1.00 0.00 C ATOM 541 O LEU A 38 -3.839 4.079 1.896 1.00 0.00 O ATOM 542 CB LEU A 38 -6.793 3.801 0.783 1.00 0.00 C ATOM 543 CG LEU A 38 -7.821 2.865 1.419 1.00 0.00 C ATOM 544 CD1 LEU A 38 -9.117 3.609 1.701 1.00 0.00 C ATOM 545 CD2 LEU A 38 -8.078 1.664 0.520 1.00 0.00 C ATOM 0 H LEU A 38 -5.649 5.852 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.843 5.122 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.283 4.357 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.016 3.193 0.319 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.419 2.505 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.837 2.927 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.921 4.435 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.523 3.999 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.812 1.009 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.459 2.005 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.148 1.117 0.369 1.00 0.00 H new ATOM 557 N LEU A 39 -5.189 3.649 3.643 1.00 0.00 N ATOM 558 CA LEU A 39 -4.149 2.990 4.426 1.00 0.00 C ATOM 559 C LEU A 39 -4.709 1.780 5.167 1.00 0.00 C ATOM 560 O LEU A 39 -5.922 1.648 5.333 1.00 0.00 O ATOM 561 CB LEU A 39 -3.534 3.974 5.423 1.00 0.00 C ATOM 562 CG LEU A 39 -3.035 5.297 4.841 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.633 6.252 5.954 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.868 5.056 3.894 1.00 0.00 C ATOM 0 H LEU A 39 -6.098 3.693 4.103 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.375 2.646 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.277 4.195 6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.699 3.481 5.921 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.848 5.753 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.281 7.188 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.494 6.449 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.836 5.804 6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.525 6.008 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.052 4.578 4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.189 4.409 3.078 1.00 0.00 H new ATOM 576 N ARG A 40 -3.817 0.901 5.612 1.00 0.00 N ATOM 577 CA ARG A 40 -4.222 -0.298 6.336 1.00 0.00 C ATOM 578 C ARG A 40 -3.428 -0.445 7.631 1.00 0.00 C ATOM 579 O ARG A 40 -2.198 -0.494 7.615 1.00 0.00 O ATOM 580 CB ARG A 40 -4.027 -1.538 5.462 1.00 0.00 C ATOM 581 CG ARG A 40 -5.141 -1.751 4.449 1.00 0.00 C ATOM 582 CD ARG A 40 -6.379 -2.345 5.101 1.00 0.00 C ATOM 583 NE ARG A 40 -7.199 -3.085 4.145 1.00 0.00 N ATOM 584 CZ ARG A 40 -8.109 -2.516 3.362 1.00 0.00 C ATOM 585 NH1 ARG A 40 -8.314 -1.208 3.421 1.00 0.00 N ATOM 586 NH2 ARG A 40 -8.816 -3.256 2.518 1.00 0.00 N ATOM 0 H ARG A 40 -2.810 0.997 5.484 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.278 -0.201 6.586 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.078 -1.454 4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.958 -2.417 6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.395 -0.800 3.981 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.792 -2.413 3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.079 -3.009 5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.973 -1.547 5.546 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.066 -4.094 4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.772 -0.636 4.069 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.013 -0.774 2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.661 -4.263 2.470 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.514 -2.818 1.917 1.00 0.00 H new ATOM 600 N VAL A 41 -4.140 -0.514 8.751 1.00 0.00 N ATOM 601 CA VAL A 41 -3.503 -0.656 10.054 1.00 0.00 C ATOM 602 C VAL A 41 -3.487 -2.114 10.503 1.00 0.00 C ATOM 603 O VAL A 41 -4.534 -2.754 10.609 1.00 0.00 O ATOM 604 CB VAL A 41 -4.218 0.190 11.124 1.00 0.00 C ATOM 605 CG1 VAL A 41 -3.529 0.041 12.472 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.270 1.650 10.701 1.00 0.00 C ATOM 0 H VAL A 41 -5.159 -0.474 8.782 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.478 -0.301 9.945 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.241 -0.172 11.225 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.049 0.646 13.215 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.549 -1.005 12.777 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.495 0.375 12.391 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.779 2.233 11.469 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.256 2.027 10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.813 1.737 9.760 1.00 0.00 H new ATOM 616 N LEU A 42 -2.293 -2.633 10.764 1.00 0.00 N ATOM 617 CA LEU A 42 -2.139 -4.016 11.202 1.00 0.00 C ATOM 618 C LEU A 42 -2.820 -4.240 12.549 1.00 0.00 C ATOM 619 O LEU A 42 -3.057 -3.306 13.315 1.00 0.00 O ATOM 620 CB LEU A 42 -0.656 -4.378 11.301 1.00 0.00 C ATOM 621 CG LEU A 42 0.047 -4.694 9.981 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.441 -5.247 10.237 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.776 -5.677 9.160 1.00 0.00 C ATOM 0 H LEU A 42 -1.417 -2.117 10.680 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.616 -4.660 10.463 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.132 -3.551 11.780 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.556 -5.242 11.958 1.00 0.00 H new ATOM 0 HG LEU A 42 0.144 -3.769 9.413 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.926 -5.466 9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.030 -4.510 10.783 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.367 -6.161 10.826 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.260 -5.890 8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.905 -6.602 9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.753 -5.243 8.945 1.00 0.00 H new ATOM 635 N PRO A 43 -3.140 -5.508 12.847 1.00 0.00 N ATOM 636 CA PRO A 43 -3.795 -5.884 14.102 1.00 0.00 C ATOM 637 C PRO A 43 -2.872 -5.732 15.307 1.00 0.00 C ATOM 638 O PRO A 43 -3.233 -6.092 16.428 1.00 0.00 O ATOM 639 CB PRO A 43 -4.155 -7.357 13.887 1.00 0.00 C ATOM 640 CG PRO A 43 -3.172 -7.843 12.879 1.00 0.00 C ATOM 641 CD PRO A 43 -2.887 -6.671 11.980 1.00 0.00 C ATOM 0 HA PRO A 43 -4.653 -5.248 14.320 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.082 -7.922 14.816 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.178 -7.466 13.527 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.260 -8.196 13.361 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.577 -8.681 12.311 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.860 -6.685 11.615 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.536 -6.669 11.104 1.00 0.00 H new ATOM 649 N CYS A 44 -1.680 -5.195 15.068 1.00 0.00 N ATOM 650 CA CYS A 44 -0.705 -4.994 16.133 1.00 0.00 C ATOM 651 C CYS A 44 -0.552 -3.511 16.458 1.00 0.00 C ATOM 652 O CYS A 44 0.370 -3.112 17.168 1.00 0.00 O ATOM 653 CB CYS A 44 0.649 -5.581 15.729 1.00 0.00 C ATOM 654 SG CYS A 44 1.085 -5.311 13.981 1.00 0.00 S ATOM 0 H CYS A 44 -1.366 -4.891 14.146 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.066 -5.508 17.024 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.425 -5.144 16.358 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.643 -6.652 15.929 1.00 0.00 H new ATOM 0 HG CYS A 44 1.937 -4.333 13.892 1.00 0.00 H new ATOM 659 N ASN A 45 -1.465 -2.699 15.934 1.00 0.00 N ATOM 660 CA ASN A 45 -1.432 -1.260 16.168 1.00 0.00 C ATOM 661 C ASN A 45 -0.322 -0.601 15.355 1.00 0.00 C ATOM 662 O ASN A 45 0.495 0.147 15.891 1.00 0.00 O ATOM 663 CB ASN A 45 -1.230 -0.969 17.656 1.00 0.00 C ATOM 664 CG ASN A 45 -1.676 0.430 18.038 1.00 0.00 C ATOM 665 OD1 ASN A 45 -2.871 0.715 18.107 1.00 0.00 O ATOM 666 ND2 ASN A 45 -0.713 1.310 18.287 1.00 0.00 N ATOM 0 H ASN A 45 -2.236 -3.013 15.345 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.388 -0.844 15.849 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.787 -1.698 18.245 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.177 -1.093 17.908 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.951 2.267 18.548 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.265 1.029 18.217 1.00 0.00 H new ATOM 673 N HIS A 46 -0.299 -0.885 14.056 1.00 0.00 N ATOM 674 CA HIS A 46 0.710 -0.320 13.168 1.00 0.00 C ATOM 675 C HIS A 46 0.082 0.143 11.857 1.00 0.00 C ATOM 676 O HIS A 46 -0.710 -0.577 11.250 1.00 0.00 O ATOM 677 CB HIS A 46 1.806 -1.348 12.887 1.00 0.00 C ATOM 678 CG HIS A 46 2.792 -1.494 14.005 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.383 -2.695 14.335 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.290 -0.581 14.871 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.201 -2.515 15.357 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.164 -1.240 15.700 1.00 0.00 N ATOM 0 H HIS A 46 -0.968 -1.503 13.596 1.00 0.00 H new ATOM 0 HA HIS A 46 1.152 0.544 13.664 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.344 -2.316 12.693 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.338 -1.061 11.980 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.045 0.470 14.904 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.798 -3.280 15.831 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.698 -0.814 16.458 1.00 0.00 H new ATOM 690 N GLU A 47 0.441 1.348 11.427 1.00 0.00 N ATOM 691 CA GLU A 47 -0.090 1.907 10.189 1.00 0.00 C ATOM 692 C GLU A 47 0.802 1.546 9.003 1.00 0.00 C ATOM 693 O GLU A 47 2.023 1.469 9.132 1.00 0.00 O ATOM 694 CB GLU A 47 -0.216 3.427 10.302 1.00 0.00 C ATOM 695 CG GLU A 47 -0.982 3.884 11.532 1.00 0.00 C ATOM 696 CD GLU A 47 -1.374 5.348 11.465 1.00 0.00 C ATOM 697 OE1 GLU A 47 -0.616 6.137 10.862 1.00 0.00 O ATOM 698 OE2 GLU A 47 -2.437 5.704 12.014 1.00 0.00 O ATOM 0 H GLU A 47 1.097 1.956 11.917 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.079 1.480 10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.782 3.865 10.322 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.714 3.809 9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.880 3.276 11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.371 3.715 12.419 1.00 0.00 H new ATOM 705 N PHE A 48 0.181 1.326 7.849 1.00 0.00 N ATOM 706 CA PHE A 48 0.916 0.972 6.641 1.00 0.00 C ATOM 707 C PHE A 48 0.185 1.465 5.395 1.00 0.00 C ATOM 708 O PHE A 48 -0.932 1.977 5.479 1.00 0.00 O ATOM 709 CB PHE A 48 1.114 -0.543 6.564 1.00 0.00 C ATOM 710 CG PHE A 48 1.930 -1.099 7.696 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.313 -1.116 7.628 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.312 -1.607 8.828 1.00 0.00 C ATOM 713 CE1 PHE A 48 4.067 -1.627 8.668 1.00 0.00 C ATOM 714 CE2 PHE A 48 2.061 -2.118 9.871 1.00 0.00 C ATOM 715 CZ PHE A 48 3.440 -2.129 9.791 1.00 0.00 C ATOM 0 H PHE A 48 -0.830 1.387 7.725 1.00 0.00 H new ATOM 0 HA PHE A 48 1.891 1.457 6.684 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.138 -1.029 6.557 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.600 -0.790 5.620 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.809 -0.725 6.752 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.234 -1.603 8.896 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.145 -1.634 8.602 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.568 -2.509 10.749 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.026 -2.529 10.605 1.00 0.00 H new ATOM 725 N HIS A 49 0.824 1.307 4.240 1.00 0.00 N ATOM 726 CA HIS A 49 0.235 1.735 2.976 1.00 0.00 C ATOM 727 C HIS A 49 -0.666 0.647 2.401 1.00 0.00 C ATOM 728 O HIS A 49 -0.227 -0.479 2.170 1.00 0.00 O ATOM 729 CB HIS A 49 1.333 2.088 1.972 1.00 0.00 C ATOM 730 CG HIS A 49 1.631 3.554 1.902 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.899 4.072 2.059 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.817 4.614 1.689 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.852 5.388 1.947 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.600 5.742 1.722 1.00 0.00 N ATOM 0 H HIS A 49 1.749 0.886 4.153 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.371 2.621 3.167 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.244 1.553 2.239 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.036 1.738 0.983 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.742 3.525 2.234 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.250 4.579 1.524 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.694 6.059 2.026 1.00 0.00 H new ATOM 742 N ALA A 50 -1.929 0.992 2.172 1.00 0.00 N ATOM 743 CA ALA A 50 -2.892 0.045 1.622 1.00 0.00 C ATOM 744 C ALA A 50 -2.260 -0.806 0.526 1.00 0.00 C ATOM 745 O ALA A 50 -2.671 -1.943 0.294 1.00 0.00 O ATOM 746 CB ALA A 50 -4.110 0.783 1.085 1.00 0.00 C ATOM 0 H ALA A 50 -2.309 1.920 2.359 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.209 -0.621 2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.821 0.064 0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.582 1.342 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.801 1.472 0.299 1.00 0.00 H new ATOM 752 N LYS A 51 -1.260 -0.247 -0.148 1.00 0.00 N ATOM 753 CA LYS A 51 -0.571 -0.955 -1.221 1.00 0.00 C ATOM 754 C LYS A 51 0.638 -1.713 -0.683 1.00 0.00 C ATOM 755 O LYS A 51 0.756 -2.925 -0.868 1.00 0.00 O ATOM 756 CB LYS A 51 -0.127 0.029 -2.305 1.00 0.00 C ATOM 757 CG LYS A 51 0.804 1.116 -1.797 1.00 0.00 C ATOM 758 CD LYS A 51 0.950 2.242 -2.806 1.00 0.00 C ATOM 759 CE LYS A 51 2.091 1.977 -3.777 1.00 0.00 C ATOM 760 NZ LYS A 51 1.772 0.867 -4.717 1.00 0.00 N ATOM 0 H LYS A 51 -0.909 0.694 0.030 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.266 -1.674 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.373 -0.522 -3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.009 0.494 -2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.420 1.515 -0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.783 0.687 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.019 2.358 -3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.128 3.181 -2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.303 2.883 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.994 1.732 -3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.263 1.025 -5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.084 -0.036 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.746 0.836 -4.882 1.00 0.00 H new ATOM 774 N CYS A 52 1.533 -0.994 -0.014 1.00 0.00 N ATOM 775 CA CYS A 52 2.733 -1.599 0.552 1.00 0.00 C ATOM 776 C CYS A 52 2.383 -2.838 1.371 1.00 0.00 C ATOM 777 O CYS A 52 2.747 -3.957 1.010 1.00 0.00 O ATOM 778 CB CYS A 52 3.474 -0.587 1.428 1.00 0.00 C ATOM 779 SG CYS A 52 4.027 0.903 0.539 1.00 0.00 S ATOM 0 H CYS A 52 1.450 0.009 0.150 1.00 0.00 H new ATOM 0 HA CYS A 52 3.381 -1.901 -0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.822 -0.286 2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.342 -1.074 1.873 1.00 0.00 H new ATOM 0 HG CYS A 52 4.894 1.544 1.264 1.00 0.00 H new ATOM 784 N VAL A 53 1.673 -2.629 2.475 1.00 0.00 N ATOM 785 CA VAL A 53 1.271 -3.728 3.345 1.00 0.00 C ATOM 786 C VAL A 53 0.825 -4.938 2.531 1.00 0.00 C ATOM 787 O VAL A 53 0.944 -6.079 2.980 1.00 0.00 O ATOM 788 CB VAL A 53 0.129 -3.309 4.289 1.00 0.00 C ATOM 789 CG1 VAL A 53 -1.185 -3.214 3.529 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.014 -4.283 5.451 1.00 0.00 C ATOM 0 H VAL A 53 1.364 -1.709 2.788 1.00 0.00 H new ATOM 0 HA VAL A 53 2.144 -3.995 3.940 1.00 0.00 H new ATOM 0 HB VAL A 53 0.358 -2.323 4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.980 -2.917 4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.093 -2.473 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.425 -4.184 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.798 -3.971 6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.192 -5.283 5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.949 -4.294 6.010 1.00 0.00 H new ATOM 800 N ASP A 54 0.311 -4.681 1.334 1.00 0.00 N ATOM 801 CA ASP A 54 -0.152 -5.750 0.456 1.00 0.00 C ATOM 802 C ASP A 54 1.027 -6.505 -0.150 1.00 0.00 C ATOM 803 O ASP A 54 0.997 -7.730 -0.272 1.00 0.00 O ATOM 804 CB ASP A 54 -1.034 -5.179 -0.656 1.00 0.00 C ATOM 805 CG ASP A 54 -1.949 -6.224 -1.263 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.924 -6.620 -0.592 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.689 -6.646 -2.410 1.00 0.00 O ATOM 0 H ASP A 54 0.204 -3.743 0.949 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.739 -6.448 1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.635 -4.362 -0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.401 -4.757 -1.437 1.00 0.00 H new ATOM 812 N LYS A 55 2.064 -5.766 -0.530 1.00 0.00 N ATOM 813 CA LYS A 55 3.253 -6.364 -1.123 1.00 0.00 C ATOM 814 C LYS A 55 4.014 -7.197 -0.096 1.00 0.00 C ATOM 815 O LYS A 55 4.573 -8.244 -0.423 1.00 0.00 O ATOM 816 CB LYS A 55 4.167 -5.276 -1.691 1.00 0.00 C ATOM 817 CG LYS A 55 3.426 -4.209 -2.479 1.00 0.00 C ATOM 818 CD LYS A 55 2.796 -4.782 -3.737 1.00 0.00 C ATOM 819 CE LYS A 55 3.852 -5.204 -4.747 1.00 0.00 C ATOM 820 NZ LYS A 55 3.319 -5.207 -6.138 1.00 0.00 N ATOM 0 H LYS A 55 2.104 -4.751 -0.437 1.00 0.00 H new ATOM 0 HA LYS A 55 2.933 -7.021 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.706 -4.802 -0.871 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.913 -5.740 -2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.652 -3.765 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.116 -3.409 -2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.177 -5.640 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.138 -4.039 -4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.704 -4.527 -4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.217 -6.200 -4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.069 -5.500 -6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.522 -5.872 -6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.994 -4.251 -6.387 1.00 0.00 H new ATOM 834 N TRP A 56 4.030 -6.725 1.145 1.00 0.00 N ATOM 835 CA TRP A 56 4.722 -7.427 2.221 1.00 0.00 C ATOM 836 C TRP A 56 3.998 -8.721 2.579 1.00 0.00 C ATOM 837 O TRP A 56 4.557 -9.811 2.455 1.00 0.00 O ATOM 838 CB TRP A 56 4.831 -6.531 3.455 1.00 0.00 C ATOM 839 CG TRP A 56 5.506 -7.198 4.615 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.899 -7.818 5.670 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.916 -7.310 4.839 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.847 -8.308 6.536 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.092 -8.011 6.048 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.046 -6.889 4.134 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.352 -8.296 6.565 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.297 -7.173 4.649 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.442 -7.872 5.854 1.00 0.00 C ATOM 0 H TRP A 56 3.572 -5.860 1.432 1.00 0.00 H new ATOM 0 HA TRP A 56 5.724 -7.677 1.873 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.383 -5.629 3.192 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.832 -6.217 3.757 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.831 -7.910 5.804 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.655 -8.811 7.402 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.944 -6.351 3.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.466 -8.833 7.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.177 -6.850 4.113 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.433 -8.080 6.229 1.00 0.00 H new ATOM 858 N LEU A 57 2.753 -8.593 3.024 1.00 0.00 N ATOM 859 CA LEU A 57 1.952 -9.753 3.400 1.00 0.00 C ATOM 860 C LEU A 57 2.121 -10.883 2.389 1.00 0.00 C ATOM 861 O LEU A 57 2.196 -12.055 2.757 1.00 0.00 O ATOM 862 CB LEU A 57 0.476 -9.366 3.508 1.00 0.00 C ATOM 863 CG LEU A 57 0.107 -8.445 4.672 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.318 -7.936 4.519 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.277 -9.170 5.999 1.00 0.00 C ATOM 0 H LEU A 57 2.276 -7.698 3.133 1.00 0.00 H new ATOM 0 HA LEU A 57 2.301 -10.104 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.179 -8.880 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.113 -10.279 3.593 1.00 0.00 H new ATOM 0 HG LEU A 57 0.780 -7.588 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.563 -7.282 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.407 -7.380 3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.007 -8.781 4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.010 -8.500 6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.372 -10.046 6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.315 -9.484 6.112 1.00 0.00 H new ATOM 877 N LYS A 58 2.181 -10.522 1.111 1.00 0.00 N ATOM 878 CA LYS A 58 2.344 -11.503 0.045 1.00 0.00 C ATOM 879 C LYS A 58 3.600 -12.340 0.264 1.00 0.00 C ATOM 880 O LYS A 58 3.576 -13.562 0.120 1.00 0.00 O ATOM 881 CB LYS A 58 2.414 -10.803 -1.314 1.00 0.00 C ATOM 882 CG LYS A 58 1.872 -11.642 -2.459 1.00 0.00 C ATOM 883 CD LYS A 58 2.291 -11.081 -3.807 1.00 0.00 C ATOM 884 CE LYS A 58 3.611 -11.677 -4.273 1.00 0.00 C ATOM 885 NZ LYS A 58 4.136 -10.984 -5.482 1.00 0.00 N ATOM 0 H LYS A 58 2.119 -9.556 0.789 1.00 0.00 H new ATOM 0 HA LYS A 58 1.480 -12.167 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.854 -9.869 -1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.451 -10.541 -1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.231 -12.667 -2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.784 -11.679 -2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.516 -11.288 -4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.384 -9.997 -3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.344 -11.610 -3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.474 -12.736 -4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.036 -11.419 -5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.448 -11.070 -6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.291 -9.979 -5.266 1.00 0.00 H new ATOM 899 N ALA A 59 4.696 -11.674 0.613 1.00 0.00 N ATOM 900 CA ALA A 59 5.961 -12.357 0.855 1.00 0.00 C ATOM 901 C ALA A 59 5.966 -13.034 2.221 1.00 0.00 C ATOM 902 O ALA A 59 6.357 -14.194 2.348 1.00 0.00 O ATOM 903 CB ALA A 59 7.119 -11.377 0.745 1.00 0.00 C ATOM 0 H ALA A 59 4.733 -10.662 0.734 1.00 0.00 H new ATOM 0 HA ALA A 59 6.080 -13.130 0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.057 -11.901 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.135 -10.943 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.996 -10.584 1.483 1.00 0.00 H new ATOM 909 N ASN A 60 5.531 -12.301 3.241 1.00 0.00 N ATOM 910 CA ASN A 60 5.488 -12.832 4.599 1.00 0.00 C ATOM 911 C ASN A 60 4.197 -12.422 5.302 1.00 0.00 C ATOM 912 O ASN A 60 3.879 -11.237 5.397 1.00 0.00 O ATOM 913 CB ASN A 60 6.696 -12.340 5.400 1.00 0.00 C ATOM 914 CG ASN A 60 7.989 -12.996 4.956 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.575 -13.796 5.686 1.00 0.00 O ATOM 916 ND2 ASN A 60 8.441 -12.657 3.754 1.00 0.00 N ATOM 0 H ASN A 60 5.204 -11.339 3.153 1.00 0.00 H new ATOM 0 HA ASN A 60 5.519 -13.920 4.539 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.784 -11.259 5.292 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.534 -12.543 6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.307 -13.064 3.401 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.922 -11.990 3.183 1.00 0.00 H new ATOM 923 N ARG A 61 3.458 -13.412 5.793 1.00 0.00 N ATOM 924 CA ARG A 61 2.202 -13.155 6.487 1.00 0.00 C ATOM 925 C ARG A 61 2.456 -12.637 7.899 1.00 0.00 C ATOM 926 O ARG A 61 1.888 -13.140 8.869 1.00 0.00 O ATOM 927 CB ARG A 61 1.356 -14.429 6.544 1.00 0.00 C ATOM 928 CG ARG A 61 -0.065 -14.196 7.030 1.00 0.00 C ATOM 929 CD ARG A 61 -0.928 -13.569 5.947 1.00 0.00 C ATOM 930 NE ARG A 61 -1.324 -14.542 4.932 1.00 0.00 N ATOM 931 CZ ARG A 61 -0.634 -14.764 3.819 1.00 0.00 C ATOM 932 NH1 ARG A 61 0.480 -14.086 3.579 1.00 0.00 N ATOM 933 NH2 ARG A 61 -1.058 -15.665 2.942 1.00 0.00 N ATOM 0 H ARG A 61 3.707 -14.399 5.723 1.00 0.00 H new ATOM 0 HA ARG A 61 1.659 -12.391 5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.322 -14.877 5.551 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.843 -15.149 7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.504 -15.143 7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.049 -13.547 7.906 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.819 -13.134 6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.381 -12.754 5.474 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.177 -15.080 5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.809 -13.392 4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.008 -14.259 2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.915 -16.188 3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.527 -15.834 2.088 1.00 0.00 H new ATOM 947 N THR A 62 3.316 -11.628 8.009 1.00 0.00 N ATOM 948 CA THR A 62 3.647 -11.043 9.301 1.00 0.00 C ATOM 949 C THR A 62 3.842 -9.536 9.189 1.00 0.00 C ATOM 950 O THR A 62 3.774 -8.970 8.097 1.00 0.00 O ATOM 951 CB THR A 62 4.924 -11.672 9.892 1.00 0.00 C ATOM 952 OG1 THR A 62 6.009 -11.535 8.968 1.00 0.00 O ATOM 953 CG2 THR A 62 4.705 -13.143 10.211 1.00 0.00 C ATOM 0 H THR A 62 3.796 -11.200 7.217 1.00 0.00 H new ATOM 0 HA THR A 62 2.808 -11.249 9.965 1.00 0.00 H new ATOM 0 HB THR A 62 5.166 -11.149 10.817 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.817 -11.935 9.351 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.620 -13.565 10.627 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.897 -13.242 10.936 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.441 -13.678 9.299 1.00 0.00 H new ATOM 961 N CYS A 63 4.086 -8.889 10.324 1.00 0.00 N ATOM 962 CA CYS A 63 4.291 -7.446 10.353 1.00 0.00 C ATOM 963 C CYS A 63 5.765 -7.102 10.157 1.00 0.00 C ATOM 964 O CYS A 63 6.640 -7.576 10.881 1.00 0.00 O ATOM 965 CB CYS A 63 3.793 -6.866 11.679 1.00 0.00 C ATOM 966 SG CYS A 63 4.025 -5.066 11.837 1.00 0.00 S ATOM 0 H CYS A 63 4.147 -9.342 11.236 1.00 0.00 H new ATOM 0 HA CYS A 63 3.721 -7.006 9.534 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.733 -7.096 11.789 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.313 -7.362 12.498 1.00 0.00 H new ATOM 0 HG CYS A 63 4.627 -4.611 10.778 1.00 0.00 H new ATOM 971 N PRO A 64 6.046 -6.256 9.155 1.00 0.00 N ATOM 972 CA PRO A 64 7.413 -5.829 8.840 1.00 0.00 C ATOM 973 C PRO A 64 7.994 -4.910 9.909 1.00 0.00 C ATOM 974 O PRO A 64 9.068 -4.336 9.730 1.00 0.00 O ATOM 975 CB PRO A 64 7.253 -5.076 7.517 1.00 0.00 C ATOM 976 CG PRO A 64 5.841 -4.602 7.519 1.00 0.00 C ATOM 977 CD PRO A 64 5.053 -5.652 8.252 1.00 0.00 C ATOM 0 HA PRO A 64 8.101 -6.672 8.786 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.951 -4.241 7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.451 -5.726 6.665 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.755 -3.634 8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.470 -4.475 6.502 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.220 -5.217 8.804 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.632 -6.389 7.568 1.00 0.00 H new ATOM 985 N ILE A 65 7.277 -4.775 11.020 1.00 0.00 N ATOM 986 CA ILE A 65 7.723 -3.927 12.118 1.00 0.00 C ATOM 987 C ILE A 65 7.991 -4.749 13.374 1.00 0.00 C ATOM 988 O ILE A 65 9.118 -4.802 13.866 1.00 0.00 O ATOM 989 CB ILE A 65 6.686 -2.836 12.444 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.513 -1.893 11.251 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.105 -2.059 13.683 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.520 -0.780 11.499 1.00 0.00 C ATOM 0 H ILE A 65 6.385 -5.242 11.183 1.00 0.00 H new ATOM 0 HA ILE A 65 8.649 -3.452 11.793 1.00 0.00 H new ATOM 0 HB ILE A 65 5.728 -3.316 12.647 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.480 -1.457 11.000 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.190 -2.471 10.385 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.362 -1.292 13.900 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.182 -2.740 14.531 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.072 -1.588 13.507 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.449 -0.151 10.611 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.542 -1.208 11.720 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.852 -0.178 12.344 1.00 0.00 H new ATOM 1004 N CYS A 66 6.947 -5.390 13.888 1.00 0.00 N ATOM 1005 CA CYS A 66 7.068 -6.212 15.087 1.00 0.00 C ATOM 1006 C CYS A 66 6.938 -7.694 14.746 1.00 0.00 C ATOM 1007 O CYS A 66 6.619 -8.514 15.606 1.00 0.00 O ATOM 1008 CB CYS A 66 6.001 -5.818 16.110 1.00 0.00 C ATOM 1009 SG CYS A 66 4.291 -6.077 15.539 1.00 0.00 S ATOM 0 H CYS A 66 6.007 -5.356 13.493 1.00 0.00 H new ATOM 0 HA CYS A 66 8.055 -6.041 15.517 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.159 -6.392 17.023 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.131 -4.767 16.368 1.00 0.00 H new ATOM 0 HG CYS A 66 4.195 -5.735 14.288 1.00 0.00 H new ATOM 1014 N ARG A 67 7.189 -8.029 13.484 1.00 0.00 N ATOM 1015 CA ARG A 67 7.100 -9.411 13.029 1.00 0.00 C ATOM 1016 C ARG A 67 5.921 -10.124 13.684 1.00 0.00 C ATOM 1017 O ARG A 67 5.927 -11.346 13.834 1.00 0.00 O ATOM 1018 CB ARG A 67 8.398 -10.158 13.340 1.00 0.00 C ATOM 1019 CG ARG A 67 9.597 -9.647 12.557 1.00 0.00 C ATOM 1020 CD ARG A 67 10.889 -10.291 13.034 1.00 0.00 C ATOM 1021 NE ARG A 67 11.992 -10.058 12.105 1.00 0.00 N ATOM 1022 CZ ARG A 67 13.272 -10.147 12.447 1.00 0.00 C ATOM 1023 NH1 ARG A 67 13.610 -10.461 13.690 1.00 0.00 N ATOM 1024 NH2 ARG A 67 14.219 -9.921 11.545 1.00 0.00 N ATOM 0 H ARG A 67 7.455 -7.362 12.759 1.00 0.00 H new ATOM 0 HA ARG A 67 6.944 -9.402 11.950 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.609 -10.075 14.406 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.258 -11.217 13.124 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.456 -9.855 11.496 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.668 -8.565 12.663 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.151 -9.894 14.015 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.737 -11.364 13.154 1.00 0.00 H new ATOM 0 HE ARG A 67 11.767 -9.814 11.141 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.886 -10.635 14.387 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.594 -10.529 13.949 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.964 -9.679 10.588 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.202 -9.990 11.809 1.00 0.00 H new ATOM 1038 N ALA A 68 4.911 -9.353 14.073 1.00 0.00 N ATOM 1039 CA ALA A 68 3.725 -9.911 14.711 1.00 0.00 C ATOM 1040 C ALA A 68 2.749 -10.455 13.674 1.00 0.00 C ATOM 1041 O ALA A 68 2.115 -9.693 12.944 1.00 0.00 O ATOM 1042 CB ALA A 68 3.047 -8.859 15.576 1.00 0.00 C ATOM 0 H ALA A 68 4.890 -8.340 13.957 1.00 0.00 H new ATOM 0 HA ALA A 68 4.040 -10.740 15.346 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.163 -9.289 16.046 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.739 -8.520 16.347 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.752 -8.013 14.956 1.00 0.00 H new ATOM 1048 N ASP A 69 2.632 -11.777 13.614 1.00 0.00 N ATOM 1049 CA ASP A 69 1.733 -12.423 12.665 1.00 0.00 C ATOM 1050 C ASP A 69 0.419 -11.656 12.553 1.00 0.00 C ATOM 1051 O ASP A 69 -0.200 -11.314 13.561 1.00 0.00 O ATOM 1052 CB ASP A 69 1.459 -13.867 13.092 1.00 0.00 C ATOM 1053 CG ASP A 69 0.864 -14.698 11.972 1.00 0.00 C ATOM 1054 OD1 ASP A 69 -0.096 -14.226 11.329 1.00 0.00 O ATOM 1055 OD2 ASP A 69 1.359 -15.821 11.739 1.00 0.00 O ATOM 0 H ASP A 69 3.149 -12.422 14.212 1.00 0.00 H new ATOM 0 HA ASP A 69 2.216 -12.426 11.688 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.389 -14.327 13.427 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.778 -13.868 13.943 1.00 0.00 H new ATOM 1060 N SER A 70 0.000 -11.387 11.320 1.00 0.00 N ATOM 1061 CA SER A 70 -1.237 -10.655 11.076 1.00 0.00 C ATOM 1062 C SER A 70 -2.452 -11.538 11.341 1.00 0.00 C ATOM 1063 O SER A 70 -3.442 -11.094 11.922 1.00 0.00 O ATOM 1064 CB SER A 70 -1.273 -10.137 9.637 1.00 0.00 C ATOM 1065 OG SER A 70 -1.157 -11.202 8.709 1.00 0.00 O ATOM 0 H SER A 70 0.499 -11.665 10.475 1.00 0.00 H new ATOM 0 HA SER A 70 -1.269 -9.807 11.760 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.205 -9.599 9.464 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.462 -9.426 9.483 1.00 0.00 H new ATOM 0 HG SER A 70 -1.343 -10.871 7.806 1.00 0.00 H new